3-Bromothiophene (HCID 13383)

名称と識別子

優先名称: 3-Bromothiophene
IUPAC: 3-bromothiophene
現地名: 3-ブロモチオフェン
英語名: 3-Bromothiophene
分子式: C4H3BrS
分子量: 163.04

名称と別名

3-BROMOTHIOPHENEThiophene, 3-bromo-3-Thienyl bromide3-Bromothiofuranbeta-Bromothiophene.beta.-BromothiopheneEINECS 212-821-3NSC 96612G818Z74YV0NSC-96612UNII-G818Z74YV0DTXSID2022129

名称をさらに表示

3-ブロモチオフェン3-チエニルブロミド臭化3-チエニル3‐ブロモチオフェン3-ブロモチオフェン, IN ISOOCTANE (1000ΜG/ML)S0501DK9383-Bromthiophenβ-bromothiophene3-bromo-thiophenb-BromothiopheneBROMOTHIOPHENE(3-)

RefChem:93270DTXCID602129212-821-3InChI=1/C4H3BrS/c5-4-1-2-6-3-4/h1-3XCMISAPCWHTVNG-UHFFFAOYSA-N872-31-13-BROMO THIOPHENE3-bromo-thiophene

データベース識別子

CAS: 872-31-1
PubChem CID: 13383
DTXSID: DTXSID2022129
UNII: G818Z74YV0
EC Number: 212-821-3
Nikkaji: J25.465G

物性

構造計算による物性

XLogP: 2.6
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 46.8

実験および物理化学的性質

SpringerMaterials PropertiesCoriolis coupling

LogP2.59

物理化学的性質

融点: -10 °C · <-10°C
沸点: 150 °C · 150 °C (lit.)
比重(密度): 1.74 g/mL · 1.74 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.591(lit.)
闪点: 140 °F · 140 °F
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
比重: 1.74 · 1.740
色: 無色透明～微黄色透明
水溶解度: 混和しない
BRN: 105338 · 105338
InChI: 1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChIKey: XCMISAPCWHTVNG-UHFFFAOYSA-N
SMILES: Brc1ccsc1
CAS データベース: 872 · 872-31-1(CAS DataBase Reference)
NISTの化学物質情報: 3 · Thiophene, 3-bromo-(872-31-1)
EPAの化学物質情報: 3 · 3-Bromothiophene (872-31-1)

化学的性質

化学的特性clear colourless to slightly yellow liquid. It is not soluble in water, but can dissolve in common organic solvents such as chloroform, benzene, ether, and tetrahydrofuran.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information3-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
ridadr: UN 2929 6.1/PG 2
hs_code: 29349990
risk_code: 10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37
消防法: 危-4-2-III
hazard_code: T,Xi,N,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationThiophene, 3-bromo-: ACTIVE

応用分野

用途有機合成原料。

使用3-Bromothiophene is used in the preparation of derivatives such as thienylenic alpha, μ-diformyl-alpha-oligothiophenes and 3-lithiothiophene. It is also used in the synthesis of 3-lithiothiophene by reacting with n-butyllithium.

上流・下流製品情報

上流原料

2,3,5-トリブロモチオフェン 2,5-ジブロモチオフェン

下流製品

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

3-ブロモチオフェン

基本情報